SCHEMBL28401795

SCHEMBL28401795

N#CCc1c(C(=O)c2ccccc2)[nH]c2ccc(F)cc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2 P11137 1/20 0.46
KDM4E B2RXH2 4/20 0.46
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
MPO P05164 1/20 0.41
XDH P47989 1/20 0.41
KMT2A Q03164 3/20 0.40
MAPT P10636 2/20 0.40
CLK1 P49759 1/20 0.40
EGFR P00533 1/20 0.40
SRC P12931 1/20 0.40
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28402284 0.85 CNR1 (0.51) MAP2KDM4EKMT2AMAPTALDH1A1
SCHEMBL28402305 0.85 GAA (0.49) KDM4EPTGS1PTGS2KMT2AMAPT
SCHEMBL28890620 0.85 MEN1 (0.45) MAP2KDM4EKMT2AMAPTEGFR
SCHEMBL28404248 0.85 EGFR (0.48) KDM4EDRD2DRD4DRD3KMT2A
SCHEMBL28890069 0.85 EGFR (0.46) KDM4EPTGS1PTGS2KMT2AMAPT
SCHEMBL28402205 0.84 EGFR (0.52) KDM4EKMT2AMAPTEGFRSRC
SCHEMBL9017489 0.84 PTGS1 (0.61) MAP2KDM4EPTGS1PTGS2DRD2
SCHEMBL28404610 0.82 PTGS1 (0.48) KDM4EPTGS1PTGS2KMT2AMAPT
SCHEMBL28402854 0.75 GPR17 (0.52) KDM4EPTGS2KMT2AMAPTTUBB4A
SCHEMBL6168700 0.73 PTGS2 (0.58) KDM4EPTGS1PTGS2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111217736-B Method for synthesizing 2-acylindole compound under photocatalysis 陕西科技大学 2021-07-02 CN disclosed
CN-111217736-A Method for synthesizing 2-acylindole compound under photocatalysis 陕西科技大学 2020-06-02 CN disclosed